6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine

C17H25F2NO — CID 89493056

IUPAC6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine
SMILESC=CCNCCCCCCOCC(F)(F)c1ccccc1
InChIInChI=1S/C17H25F2NO/c1-2-12-20-13-8-3-4-9-14-21-15-17(18,19)16-10-6-5-7-11-16/h2,5-7,10-11,20H,1,3-4,8-9,12-15H2
InChIKeyWTWOOFNFJUOQLX-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.13
Rot. Bonds12

About 6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine

6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine (PubChem CID 89493056) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine.

Molecular Properties

Compound Name6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine
PubChem CID89493056
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine
SMILESC=CCNCCCCCCOCC(F)(F)c1ccccc1
InChIInChI=1S/C17H25F2NO/c1-2-12-20-13-8-3-4-9-14-21-15-17(18,19)16-10-6-5-7-11-16/h2,5-7,10-11,20H,1,3-4,8-9,12-15H2
InChIKeyWTWOOFNFJUOQLX-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine?
The IUPAC name of 6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine (CID 89493056) is 6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine.
What is the SMILES notation for 6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine?
The canonical SMILES for 6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine is C=CCNCCCCCCOCC(F)(F)c1ccccc1.
What is the InChIKey of 6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine?
The InChIKey is WTWOOFNFJUOQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-2-12-20-13-8-3-4-9-14-21-15-17(18,19)16-10-6-5-7-11-16/h2,5-7,10-11,20H,1,3-4,8-9,12-15H2.
What are the key properties of 6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine?
6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 4.13, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoro-2-phenylethoxy)-N-prop-2-enylhexan-1-amine is sourced from PubChem (CID 89493056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).